3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid

C12H23N3O5 — CID 106109941

IUPAC3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid
SMILESCCN(CC(=O)NC(C)C)C(=O)NCC(OC)C(=O)O
InChIInChI=1S/C12H23N3O5/c1-5-15(7-10(16)14-8(2)3)12(19)13-6-9(20-4)11(17)18/h8-9H,5-7H2,1-4H3,(H,13,19)(H,14,16)(H,17,18)
InChIKeyDTYCNTILYSKYAT-UHFFFAOYSA-N
MW289.33 g/mol
LogP-0.36
Rot. Bonds8

About 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid

3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid (PubChem CID 106109941) has the molecular formula C12H23N3O5 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid
PubChem CID106109941
Molecular FormulaC12H23N3O5
Molecular Weight289.33 g/mol
Exact Mass289.16
IUPAC Name3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid
SMILESCCN(CC(=O)NC(C)C)C(=O)NCC(OC)C(=O)O
InChIInChI=1S/C12H23N3O5/c1-5-15(7-10(16)14-8(2)3)12(19)13-6-9(20-4)11(17)18/h8-9H,5-7H2,1-4H3,(H,13,19)(H,14,16)(H,17,18)
InChIKeyDTYCNTILYSKYAT-UHFFFAOYSA-N
XLogP-0.36
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 114144627
3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 106109940
3-[bis(2-amino-2-oxoethyl)carbamoylamino]-2-methoxypropanoic acid
CID 114144690
(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid
CID 79010051
3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109628
2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-methoxybutanoic acid
CID 62475235
2-[carbamoyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60703127
(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-4-hydroxybutanoic acid
CID 107826992
2-methoxy-3-(3-methylpentanoylamino)propanoic acid
CID 106107442
2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid
CID 65220842
2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
CID 106109710
2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 106109727

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid (CID 106109941) is 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid is CCN(CC(=O)NC(C)C)C(=O)NCC(OC)C(=O)O.
What is the InChIKey of 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid?
The InChIKey is DTYCNTILYSKYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O5/c1-5-15(7-10(16)14-8(2)3)12(19)13-6-9(20-4)11(17)18/h8-9H,5-7H2,1-4H3,(H,13,19)(H,14,16)(H,17,18).
What are the key properties of 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid?
3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid has a molecular weight of 289.33 g/mol, XLogP of -0.36, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106109941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).